CID 169027257

C31H84O9Si12 — CID 169027257

IUPAC—
SMILESCOCCC[Si](O[Si](C)(C)CC[Si]O[Si](C)(C)C)(O[Si](C)(C)CC[Si]O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C31H84O9Si12/c1-32-24-23-27-51(38-48(17,18)28-25-41-33-43(2,3)4,39-49(19,20)29-26-42-34-44(5,6)7)40-50(21,22)30-31-52(35-45(8,9)10,36-46(11,12)13)37-47(14,15)16/h23-31H2,1-22H3
InChIKeyMVIAFPLQAZMSHM-UHFFFAOYSA-N
MW938.04 g/mol
LogP10.90
Rot. Bonds29

About CID 169027257

CID 169027257 (PubChem CID 169027257) has the molecular formula C31H84O9Si12 and a molecular weight of 938.04 g/mol.

Molecular Properties

Compound NameCID 169027257
PubChem CID169027257
Molecular FormulaC31H84O9Si12
Molecular Weight938.04 g/mol
Exact Mass936.33
IUPAC Name—
SMILESCOCCC[Si](O[Si](C)(C)CC[Si]O[Si](C)(C)C)(O[Si](C)(C)CC[Si]O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C31H84O9Si12/c1-32-24-23-27-51(38-48(17,18)28-25-41-33-43(2,3)4,39-49(19,20)29-26-42-34-44(5,6)7)40-50(21,22)30-31-52(35-45(8,9)10,36-46(11,12)13)37-47(14,15)16/h23-31H2,1-22H3
InChIKeyMVIAFPLQAZMSHM-UHFFFAOYSA-N
XLogP10.90
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.04
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-[2-[tris(2-methoxyethoxy)silyl]ethyl]silane
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CID 59957069
CID 59957069
butyl-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 59431043
methane;2-methoxy-3-[3-[[2-[methoxy-bis(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol
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triethoxy(3-methoxypropyl)silane
CID 22712922

Frequently Asked Questions

What is the IUPAC name of CID 169027257?
The IUPAC name of CID 169027257 (CID 169027257) is not available.
What is the SMILES notation for CID 169027257?
The canonical SMILES for CID 169027257 is COCCC[Si](O[Si](C)(C)CC[Si]O[Si](C)(C)C)(O[Si](C)(C)CC[Si]O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 169027257?
The InChIKey is MVIAFPLQAZMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H84O9Si12/c1-32-24-23-27-51(38-48(17,18)28-25-41-33-43(2,3)4,39-49(19,20)29-26-42-34-44(5,6)7)40-50(21,22)30-31-52(35-45(8,9)10,36-46(11,12)13)37-47(14,15)16/h23-31H2,1-22H3.
What are the key properties of CID 169027257?
CID 169027257 has a molecular weight of 938.04 g/mol, XLogP of 10.90, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169027257 is sourced from PubChem (CID 169027257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).